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199678-69-8 | 1H-Pyrido[3,4-b]indole, 1-(2,3-dihydro-5-benzofuranyl)-2,3,4,9-tetrahydro-
CAS No: 199678-69-8 Catalog No: AG002C9H MDL No:
Product Description
Catalog Number:
AG002C9H
Chemical Name:
1H-Pyrido[3,4-b]indole, 1-(2,3-dihydro-5-benzofuranyl)-2,3,4,9-tetrahydro-
CAS Number:
199678-69-8
Molecular Formula:
C19H18N2O
Molecular Weight:
290.3590
IUPAC Name:
1-(2,3-dihydro-1-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
InChI:
InChI=1S/C19H18N2O/c1-2-4-16-14(3-1)15-7-9-20-18(19(15)21-16)13-5-6-17-12(11-13)8-10-22-17/h1-6,11,18,20-21H,7-10H2
InChI Key:
RQEHSDWWBXNMPR-UHFFFAOYSA-N
SMILES:
C1Oc2c(C1)cc(cc2)C1NCCc2c1[nH]c1c2cccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.366g/mol
Monoisotopic Mass:
290.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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